USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot -49:sc= 0.133 USER MOD Set 1.2: A 40 CYS SG : rot 180:sc= 0.134 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 0.219 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 20:sc= 0.298 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.955 X(o=-0.95,f=-0.9) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -103:sc= -0.146 (180deg=-2.64!) USER MOD Single : A 17 ASN : amide:sc= 1.02 K(o=1,f=-0.22) USER MOD Single : A 18 MET CE :methyl -178:sc= 0 (180deg=-0.0132) USER MOD Single : A 20 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.55) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.017) USER MOD Single : A 31 SER OG : rot -100:sc= 1.11 USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= -0.013 (180deg=-2.27!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.0474 (180deg=-0.299) USER MOD Single : A 59 SER OG : rot 180:sc= -0.148 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.41! C(o=-3.4!,f=-3.5!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.392 USER MOD Single : A 70 TYR OH : rot 26:sc= 0.66 USER MOD Single : A 72 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.5!) USER MOD Single : A 78 SER OG : rot -4:sc= 0.999 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 85 SER OG : rot 180:sc= -0.936 USER MOD Single : A 89 SER OG : rot -73:sc= -0.126 USER MOD Single : A 90 THR OG1 : rot 55:sc= 1.08 USER MOD Single : A 96 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.29) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.689 -17.298 -8.474 1.00 0.00 N ATOM 2 CA GLY A 1 -13.031 -18.571 -8.243 1.00 0.00 C ATOM 3 C GLY A 1 -13.979 -19.624 -7.706 1.00 0.00 C ATOM 4 O GLY A 1 -14.547 -20.406 -8.469 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.999 -16.612 -8.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.454 -17.423 -9.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.086 -16.945 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.592 -18.924 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.212 -18.430 -7.538 1.00 0.00 H new ATOM 8 N SER A 2 -14.151 -19.647 -6.388 1.00 0.00 N ATOM 9 CA SER A 2 -15.033 -20.617 -5.749 1.00 0.00 C ATOM 10 C SER A 2 -15.612 -20.054 -4.454 1.00 0.00 C ATOM 11 O SER A 2 -14.953 -19.290 -3.747 1.00 0.00 O ATOM 12 CB SER A 2 -14.276 -21.914 -5.460 1.00 0.00 C ATOM 13 OG SER A 2 -14.311 -22.785 -6.578 1.00 0.00 O ATOM 0 H SER A 2 -13.691 -19.005 -5.742 1.00 0.00 H new ATOM 0 HA SER A 2 -15.855 -20.829 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.241 -21.686 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.715 -22.410 -4.595 1.00 0.00 H new ATOM 0 HG SER A 2 -14.392 -22.258 -7.401 1.00 0.00 H new ATOM 19 N SER A 3 -16.848 -20.436 -4.150 1.00 0.00 N ATOM 20 CA SER A 3 -17.518 -19.967 -2.943 1.00 0.00 C ATOM 21 C SER A 3 -17.133 -20.824 -1.740 1.00 0.00 C ATOM 22 O SER A 3 -17.544 -21.978 -1.629 1.00 0.00 O ATOM 23 CB SER A 3 -19.036 -19.991 -3.135 1.00 0.00 C ATOM 24 OG SER A 3 -19.688 -19.232 -2.132 1.00 0.00 O ATOM 0 H SER A 3 -17.406 -21.069 -4.723 1.00 0.00 H new ATOM 0 HA SER A 3 -17.198 -18.942 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.288 -19.593 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.393 -21.020 -3.107 1.00 0.00 H new ATOM 0 HG SER A 3 -20.657 -19.261 -2.277 1.00 0.00 H new ATOM 30 N GLY A 4 -16.340 -20.248 -0.842 1.00 0.00 N ATOM 31 CA GLY A 4 -15.911 -20.972 0.341 1.00 0.00 C ATOM 32 C GLY A 4 -14.414 -21.208 0.366 1.00 0.00 C ATOM 33 O GLY A 4 -13.748 -21.119 -0.665 1.00 0.00 O ATOM 0 H GLY A 4 -15.987 -19.294 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.202 -20.413 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.428 -21.931 0.383 1.00 0.00 H new ATOM 37 N SER A 5 -13.883 -21.509 1.547 1.00 0.00 N ATOM 38 CA SER A 5 -12.454 -21.753 1.703 1.00 0.00 C ATOM 39 C SER A 5 -12.143 -22.285 3.098 1.00 0.00 C ATOM 40 O SER A 5 -12.761 -21.877 4.082 1.00 0.00 O ATOM 41 CB SER A 5 -11.665 -20.468 1.446 1.00 0.00 C ATOM 42 OG SER A 5 -12.082 -19.431 2.318 1.00 0.00 O ATOM 0 H SER A 5 -14.421 -21.590 2.410 1.00 0.00 H new ATOM 0 HA SER A 5 -12.157 -22.505 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.600 -20.657 1.584 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.802 -20.154 0.411 1.00 0.00 H new ATOM 0 HG SER A 5 -11.562 -18.621 2.135 1.00 0.00 H new ATOM 48 N SER A 6 -11.181 -23.199 3.175 1.00 0.00 N ATOM 49 CA SER A 6 -10.789 -23.790 4.449 1.00 0.00 C ATOM 50 C SER A 6 -9.397 -23.322 4.861 1.00 0.00 C ATOM 51 O SER A 6 -8.450 -23.391 4.078 1.00 0.00 O ATOM 52 CB SER A 6 -10.820 -25.317 4.357 1.00 0.00 C ATOM 53 OG SER A 6 -9.755 -25.801 3.558 1.00 0.00 O ATOM 0 H SER A 6 -10.659 -23.546 2.370 1.00 0.00 H new ATOM 0 HA SER A 6 -11.501 -23.464 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.753 -25.746 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.772 -25.640 3.935 1.00 0.00 H new ATOM 0 HG SER A 6 -9.057 -25.116 3.493 1.00 0.00 H new ATOM 59 N GLY A 7 -9.281 -22.845 6.096 1.00 0.00 N ATOM 60 CA GLY A 7 -8.001 -22.372 6.591 1.00 0.00 C ATOM 61 C GLY A 7 -7.932 -20.859 6.666 1.00 0.00 C ATOM 62 O GLY A 7 -8.925 -20.199 6.968 1.00 0.00 O ATOM 0 H GLY A 7 -10.050 -22.777 6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.821 -22.790 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.206 -22.737 5.941 1.00 0.00 H new ATOM 66 N GLY A 8 -6.754 -20.308 6.390 1.00 0.00 N ATOM 67 CA GLY A 8 -6.580 -18.868 6.435 1.00 0.00 C ATOM 68 C GLY A 8 -5.137 -18.465 6.668 1.00 0.00 C ATOM 69 O GLY A 8 -4.262 -19.318 6.816 1.00 0.00 O ATOM 0 H GLY A 8 -5.917 -20.833 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.928 -18.434 5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.202 -18.455 7.229 1.00 0.00 H new ATOM 73 N THR A 9 -4.887 -17.159 6.700 1.00 0.00 N ATOM 74 CA THR A 9 -3.540 -16.645 6.914 1.00 0.00 C ATOM 75 C THR A 9 -3.561 -15.400 7.794 1.00 0.00 C ATOM 76 O THR A 9 -4.512 -14.619 7.758 1.00 0.00 O ATOM 77 CB THR A 9 -2.850 -16.305 5.580 1.00 0.00 C ATOM 78 OG1 THR A 9 -3.053 -17.366 4.640 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.360 -16.078 5.783 1.00 0.00 C ATOM 0 H THR A 9 -5.600 -16.439 6.580 1.00 0.00 H new ATOM 0 HA THR A 9 -2.977 -17.432 7.415 1.00 0.00 H new ATOM 0 HB THR A 9 -3.291 -15.387 5.192 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.613 -17.142 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.895 -15.839 4.827 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.209 -15.251 6.476 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.907 -16.981 6.192 1.00 0.00 H new ATOM 87 N GLN A 10 -2.506 -15.221 8.583 1.00 0.00 N ATOM 88 CA GLN A 10 -2.404 -14.070 9.472 1.00 0.00 C ATOM 89 C GLN A 10 -3.029 -12.833 8.834 1.00 0.00 C ATOM 90 O GLN A 10 -4.045 -12.323 9.308 1.00 0.00 O ATOM 91 CB GLN A 10 -0.940 -13.795 9.819 1.00 0.00 C ATOM 92 CG GLN A 10 -0.411 -14.661 10.951 1.00 0.00 C ATOM 93 CD GLN A 10 -0.419 -16.137 10.609 1.00 0.00 C ATOM 94 OE1 GLN A 10 -1.126 -16.928 11.234 1.00 0.00 O ATOM 95 NE2 GLN A 10 0.369 -16.518 9.610 1.00 0.00 N ATOM 0 H GLN A 10 -1.710 -15.858 8.624 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.950 -14.300 10.387 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.328 -13.957 8.932 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.831 -12.746 10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.606 -14.354 11.194 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.015 -14.495 11.843 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.939 -15.829 9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.404 -17.499 9.334 1.00 0.00 H new ATOM 104 N LEU A 11 -2.415 -12.354 7.758 1.00 0.00 N ATOM 105 CA LEU A 11 -2.910 -11.175 7.055 1.00 0.00 C ATOM 106 C LEU A 11 -4.384 -11.335 6.697 1.00 0.00 C ATOM 107 O LEU A 11 -5.190 -10.435 6.932 1.00 0.00 O ATOM 108 CB LEU A 11 -2.090 -10.931 5.788 1.00 0.00 C ATOM 109 CG LEU A 11 -2.275 -9.567 5.121 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.793 -8.454 6.039 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.538 -9.520 3.790 1.00 0.00 C ATOM 0 H LEU A 11 -1.573 -12.764 7.353 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.806 -10.316 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.035 -11.053 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.341 -11.705 5.062 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.338 -9.418 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.932 -7.491 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.365 -8.474 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.736 -8.598 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.681 -8.542 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.474 -9.691 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.930 -10.293 3.129 1.00 0.00 H new ATOM 123 N GLU A 12 -4.729 -12.487 6.130 1.00 0.00 N ATOM 124 CA GLU A 12 -6.107 -12.763 5.742 1.00 0.00 C ATOM 125 C GLU A 12 -7.059 -12.532 6.912 1.00 0.00 C ATOM 126 O GLU A 12 -8.185 -12.067 6.729 1.00 0.00 O ATOM 127 CB GLU A 12 -6.239 -14.203 5.239 1.00 0.00 C ATOM 128 CG GLU A 12 -6.013 -14.348 3.744 1.00 0.00 C ATOM 129 CD GLU A 12 -7.074 -13.641 2.922 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.266 -13.975 3.080 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.711 -12.754 2.121 1.00 0.00 O ATOM 0 H GLU A 12 -4.074 -13.243 5.929 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.375 -12.078 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.523 -14.831 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.233 -14.575 5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.033 -13.946 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.002 -15.406 3.483 1.00 0.00 H new ATOM 138 N LYS A 13 -6.600 -12.861 8.114 1.00 0.00 N ATOM 139 CA LYS A 13 -7.408 -12.690 9.316 1.00 0.00 C ATOM 140 C LYS A 13 -7.699 -11.214 9.570 1.00 0.00 C ATOM 141 O LYS A 13 -8.850 -10.780 9.522 1.00 0.00 O ATOM 142 CB LYS A 13 -6.695 -13.297 10.526 1.00 0.00 C ATOM 143 CG LYS A 13 -6.455 -14.792 10.404 1.00 0.00 C ATOM 144 CD LYS A 13 -5.756 -15.346 11.634 1.00 0.00 C ATOM 145 CE LYS A 13 -6.754 -15.752 12.707 1.00 0.00 C ATOM 146 NZ LYS A 13 -6.086 -16.396 13.872 1.00 0.00 N ATOM 0 H LYS A 13 -5.671 -13.248 8.282 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.355 -13.208 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.738 -12.794 10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.287 -13.104 11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.407 -15.304 10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.851 -14.994 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.152 -16.208 11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.074 -14.596 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.303 -14.872 13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.485 -16.440 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.801 -16.658 14.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.583 -17.250 13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.407 -15.731 14.294 1.00 0.00 H new ATOM 160 N LEU A 14 -6.648 -10.448 9.840 1.00 0.00 N ATOM 161 CA LEU A 14 -6.790 -9.019 10.101 1.00 0.00 C ATOM 162 C LEU A 14 -7.566 -8.336 8.979 1.00 0.00 C ATOM 163 O LEU A 14 -8.574 -7.673 9.223 1.00 0.00 O ATOM 164 CB LEU A 14 -5.414 -8.369 10.254 1.00 0.00 C ATOM 165 CG LEU A 14 -5.407 -6.912 10.716 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.351 -6.834 12.234 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.236 -6.162 10.098 1.00 0.00 C ATOM 0 H LEU A 14 -5.689 -10.792 9.884 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.347 -8.898 11.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.834 -8.957 10.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.898 -8.428 9.296 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.331 -6.440 10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.347 -5.789 12.545 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.222 -7.335 12.656 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.444 -7.322 12.590 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.247 -5.126 10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.301 -6.634 10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.320 -6.188 9.012 1.00 0.00 H new ATOM 179 N MET A 15 -7.090 -8.503 7.750 1.00 0.00 N ATOM 180 CA MET A 15 -7.741 -7.904 6.591 1.00 0.00 C ATOM 181 C MET A 15 -9.198 -8.348 6.496 1.00 0.00 C ATOM 182 O MET A 15 -10.063 -7.580 6.078 1.00 0.00 O ATOM 183 CB MET A 15 -6.997 -8.282 5.309 1.00 0.00 C ATOM 184 CG MET A 15 -5.638 -7.614 5.176 1.00 0.00 C ATOM 185 SD MET A 15 -5.755 -5.819 5.056 1.00 0.00 S ATOM 186 CE MET A 15 -4.526 -5.318 6.258 1.00 0.00 C ATOM 0 H MET A 15 -6.256 -9.048 7.531 1.00 0.00 H new ATOM 0 HA MET A 15 -7.716 -6.821 6.711 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.865 -9.364 5.280 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.611 -8.013 4.449 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.022 -7.877 6.036 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.132 -8.001 4.291 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.023 -4.992 7.172 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.871 -6.160 6.481 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.935 -4.496 5.853 1.00 0.00 H new ATOM 196 N GLU A 16 -9.459 -9.591 6.887 1.00 0.00 N ATOM 197 CA GLU A 16 -10.811 -10.136 6.845 1.00 0.00 C ATOM 198 C GLU A 16 -11.732 -9.382 7.800 1.00 0.00 C ATOM 199 O GLU A 16 -12.896 -9.132 7.489 1.00 0.00 O ATOM 200 CB GLU A 16 -10.797 -11.624 7.202 1.00 0.00 C ATOM 201 CG GLU A 16 -12.178 -12.198 7.472 1.00 0.00 C ATOM 202 CD GLU A 16 -12.124 -13.535 8.185 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.215 -13.726 9.020 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.990 -14.391 7.909 1.00 0.00 O ATOM 0 H GLU A 16 -8.753 -10.239 7.236 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.191 -10.017 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.335 -12.180 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.173 -11.772 8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.750 -11.492 8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.710 -12.315 6.528 1.00 0.00 H new ATOM 211 N ASN A 17 -11.201 -9.022 8.964 1.00 0.00 N ATOM 212 CA ASN A 17 -11.975 -8.297 9.965 1.00 0.00 C ATOM 213 C ASN A 17 -12.186 -6.846 9.544 1.00 0.00 C ATOM 214 O ASN A 17 -13.264 -6.284 9.736 1.00 0.00 O ATOM 215 CB ASN A 17 -11.268 -8.348 11.321 1.00 0.00 C ATOM 216 CG ASN A 17 -11.357 -9.717 11.968 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.286 -10.000 12.725 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.387 -10.575 11.673 1.00 0.00 N ATOM 0 H ASN A 17 -10.238 -9.220 9.237 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.950 -8.777 10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.220 -8.078 11.192 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.709 -7.605 11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.393 -11.511 12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.636 -10.298 11.041 1.00 0.00 H new ATOM 225 N MET A 18 -11.150 -6.246 8.968 1.00 0.00 N ATOM 226 CA MET A 18 -11.223 -4.861 8.517 1.00 0.00 C ATOM 227 C MET A 18 -12.147 -4.730 7.310 1.00 0.00 C ATOM 228 O MET A 18 -13.073 -3.919 7.311 1.00 0.00 O ATOM 229 CB MET A 18 -9.827 -4.343 8.165 1.00 0.00 C ATOM 230 CG MET A 18 -9.829 -2.935 7.591 1.00 0.00 C ATOM 231 SD MET A 18 -8.195 -2.409 7.039 1.00 0.00 S ATOM 232 CE MET A 18 -8.110 -3.199 5.434 1.00 0.00 C ATOM 0 H MET A 18 -10.250 -6.697 8.802 1.00 0.00 H new ATOM 0 HA MET A 18 -11.631 -4.261 9.330 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.205 -4.361 9.060 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.368 -5.020 7.444 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.524 -2.889 6.752 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.195 -2.239 8.346 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.140 -2.997 4.980 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.239 -4.275 5.551 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.900 -2.807 4.793 1.00 0.00 H new ATOM 242 N ARG A 19 -11.888 -5.532 6.283 1.00 0.00 N ATOM 243 CA ARG A 19 -12.696 -5.504 5.069 1.00 0.00 C ATOM 244 C ARG A 19 -14.184 -5.475 5.407 1.00 0.00 C ATOM 245 O ARG A 19 -14.990 -4.927 4.657 1.00 0.00 O ATOM 246 CB ARG A 19 -12.384 -6.720 4.195 1.00 0.00 C ATOM 247 CG ARG A 19 -11.072 -6.605 3.437 1.00 0.00 C ATOM 248 CD ARG A 19 -10.816 -7.832 2.576 1.00 0.00 C ATOM 249 NE ARG A 19 -11.961 -8.155 1.730 1.00 0.00 N ATOM 250 CZ ARG A 19 -12.041 -9.254 0.989 1.00 0.00 C ATOM 251 NH1 ARG A 19 -11.047 -10.132 0.991 1.00 0.00 N ATOM 252 NH2 ARG A 19 -13.116 -9.478 0.244 1.00 0.00 N ATOM 0 H ARG A 19 -11.125 -6.209 6.267 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.448 -4.596 4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.354 -7.610 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.195 -6.861 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.091 -5.715 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.252 -6.478 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.940 -7.660 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.587 -8.683 3.217 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.743 -7.500 1.707 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.219 -9.964 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.111 -10.976 0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.883 -8.805 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.176 -10.323 -0.325 1.00 0.00 H new ATOM 266 N ASN A 20 -14.539 -6.069 6.542 1.00 0.00 N ATOM 267 CA ASN A 20 -15.930 -6.112 6.979 1.00 0.00 C ATOM 268 C ASN A 20 -16.434 -4.714 7.327 1.00 0.00 C ATOM 269 O ASN A 20 -17.248 -4.139 6.603 1.00 0.00 O ATOM 270 CB ASN A 20 -16.078 -7.035 8.189 1.00 0.00 C ATOM 271 CG ASN A 20 -16.203 -8.493 7.792 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.924 -8.833 6.853 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.500 -9.364 8.507 1.00 0.00 N ATOM 0 H ASN A 20 -13.883 -6.527 7.175 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.531 -6.502 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.215 -6.912 8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.957 -6.741 8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.545 -10.359 8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.915 -9.038 9.277 1.00 0.00 H new ATOM 280 N ASP A 21 -15.946 -4.175 8.438 1.00 0.00 N ATOM 281 CA ASP A 21 -16.345 -2.844 8.881 1.00 0.00 C ATOM 282 C ASP A 21 -15.985 -1.792 7.837 1.00 0.00 C ATOM 283 O ASP A 21 -16.571 -0.710 7.804 1.00 0.00 O ATOM 284 CB ASP A 21 -15.677 -2.506 10.215 1.00 0.00 C ATOM 285 CG ASP A 21 -16.521 -1.577 11.066 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.722 -1.867 11.250 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.980 -0.561 11.549 1.00 0.00 O ATOM 0 H ASP A 21 -15.273 -4.639 9.049 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.427 -2.842 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.487 -3.427 10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.709 -2.042 10.026 1.00 0.00 H new ATOM 292 N ILE A 22 -15.018 -2.118 6.986 1.00 0.00 N ATOM 293 CA ILE A 22 -14.580 -1.201 5.941 1.00 0.00 C ATOM 294 C ILE A 22 -15.512 -1.257 4.735 1.00 0.00 C ATOM 295 O ILE A 22 -15.766 -0.242 4.087 1.00 0.00 O ATOM 296 CB ILE A 22 -13.144 -1.515 5.481 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.131 -0.781 6.362 1.00 0.00 C ATOM 298 CG2 ILE A 22 -12.960 -1.133 4.020 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.158 0.721 6.191 1.00 0.00 C ATOM 0 H ILE A 22 -14.523 -3.010 7.000 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.604 -0.199 6.370 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.973 -2.587 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.327 -1.023 7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.130 -1.147 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.940 -1.361 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.661 -1.698 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.147 -0.066 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.414 1.175 6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.932 0.973 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.147 1.099 6.449 1.00 0.00 H new ATOM 311 N ALA A 23 -16.019 -2.449 4.441 1.00 0.00 N ATOM 312 CA ALA A 23 -16.926 -2.637 3.315 1.00 0.00 C ATOM 313 C ALA A 23 -18.359 -2.289 3.701 1.00 0.00 C ATOM 314 O ALA A 23 -19.198 -2.025 2.839 1.00 0.00 O ATOM 315 CB ALA A 23 -16.847 -4.069 2.807 1.00 0.00 C ATOM 0 H ALA A 23 -15.817 -3.299 4.967 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.619 -1.962 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.529 -4.195 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.829 -4.285 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.126 -4.755 3.607 1.00 0.00 H new ATOM 321 N SER A 24 -18.634 -2.291 5.002 1.00 0.00 N ATOM 322 CA SER A 24 -19.968 -1.979 5.501 1.00 0.00 C ATOM 323 C SER A 24 -20.073 -0.507 5.890 1.00 0.00 C ATOM 324 O SER A 24 -21.125 0.114 5.736 1.00 0.00 O ATOM 325 CB SER A 24 -20.304 -2.861 6.705 1.00 0.00 C ATOM 326 OG SER A 24 -21.703 -3.049 6.825 1.00 0.00 O ATOM 0 H SER A 24 -17.951 -2.505 5.729 1.00 0.00 H new ATOM 0 HA SER A 24 -20.683 -2.178 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.812 -3.828 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.916 -2.403 7.615 1.00 0.00 H new ATOM 0 HG SER A 24 -21.891 -3.617 7.601 1.00 0.00 H new ATOM 332 N HIS A 25 -18.974 0.044 6.395 1.00 0.00 N ATOM 333 CA HIS A 25 -18.941 1.443 6.806 1.00 0.00 C ATOM 334 C HIS A 25 -17.725 2.154 6.218 1.00 0.00 C ATOM 335 O HIS A 25 -16.928 2.765 6.929 1.00 0.00 O ATOM 336 CB HIS A 25 -18.918 1.549 8.331 1.00 0.00 C ATOM 337 CG HIS A 25 -20.277 1.470 8.957 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.764 2.428 9.821 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.254 0.541 8.838 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.981 2.091 10.208 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.302 0.949 9.626 1.00 0.00 N ATOM 0 H HIS A 25 -18.095 -0.456 6.529 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.842 1.927 6.429 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.295 0.750 8.733 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.450 2.492 8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.216 -0.355 8.235 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.607 2.653 10.885 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.185 0.451 9.743 1.00 0.00 H new ATOM 349 N PRO A 26 -17.578 2.071 4.887 1.00 0.00 N ATOM 350 CA PRO A 26 -16.462 2.700 4.174 1.00 0.00 C ATOM 351 C PRO A 26 -16.249 4.150 4.593 1.00 0.00 C ATOM 352 O PRO A 26 -17.189 4.864 4.945 1.00 0.00 O ATOM 353 CB PRO A 26 -16.891 2.624 2.706 1.00 0.00 C ATOM 354 CG PRO A 26 -17.816 1.458 2.642 1.00 0.00 C ATOM 355 CD PRO A 26 -18.489 1.358 3.976 1.00 0.00 C ATOM 0 HA PRO A 26 -15.514 2.203 4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.388 3.541 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.032 2.485 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.551 1.592 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.268 0.543 2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.478 1.817 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.624 0.320 4.278 1.00 0.00 H new ATOM 363 N PRO A 27 -14.986 4.599 4.554 1.00 0.00 N ATOM 364 CA PRO A 27 -14.621 5.970 4.926 1.00 0.00 C ATOM 365 C PRO A 27 -15.121 6.997 3.916 1.00 0.00 C ATOM 366 O PRO A 27 -15.456 6.655 2.782 1.00 0.00 O ATOM 367 CB PRO A 27 -13.091 5.937 4.943 1.00 0.00 C ATOM 368 CG PRO A 27 -12.725 4.830 4.015 1.00 0.00 C ATOM 369 CD PRO A 27 -13.817 3.804 4.144 1.00 0.00 C ATOM 0 HA PRO A 27 -15.065 6.267 5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.671 6.887 4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.710 5.753 5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.647 5.190 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.757 4.404 4.278 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.994 3.285 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.568 3.044 4.884 1.00 0.00 H new ATOM 377 N VAL A 28 -15.168 8.258 4.335 1.00 0.00 N ATOM 378 CA VAL A 28 -15.625 9.335 3.465 1.00 0.00 C ATOM 379 C VAL A 28 -14.493 9.848 2.583 1.00 0.00 C ATOM 380 O VAL A 28 -13.558 10.486 3.065 1.00 0.00 O ATOM 381 CB VAL A 28 -16.197 10.510 4.281 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.296 11.760 3.421 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.555 10.144 4.862 1.00 0.00 C ATOM 0 H VAL A 28 -14.895 8.558 5.271 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.412 8.921 2.835 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.518 10.720 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.702 12.579 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.305 12.032 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.952 11.567 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.944 10.985 5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.245 9.906 4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.450 9.278 5.515 1.00 0.00 H new ATOM 393 N GLU A 29 -14.584 9.563 1.287 1.00 0.00 N ATOM 394 CA GLU A 29 -13.566 9.996 0.337 1.00 0.00 C ATOM 395 C GLU A 29 -13.252 11.479 0.514 1.00 0.00 C ATOM 396 O GLU A 29 -14.106 12.336 0.291 1.00 0.00 O ATOM 397 CB GLU A 29 -14.028 9.728 -1.097 1.00 0.00 C ATOM 398 CG GLU A 29 -15.125 10.669 -1.568 1.00 0.00 C ATOM 399 CD GLU A 29 -15.877 10.131 -2.770 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.451 10.409 -3.910 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.893 9.433 -2.569 1.00 0.00 O ATOM 0 H GLU A 29 -15.351 9.035 0.872 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.658 9.425 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.173 9.815 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.386 8.701 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.827 10.841 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.687 11.635 -1.820 1.00 0.00 H new ATOM 408 N GLY A 30 -12.020 11.773 0.917 1.00 0.00 N ATOM 409 CA GLY A 30 -11.614 13.152 1.117 1.00 0.00 C ATOM 410 C GLY A 30 -11.777 13.600 2.556 1.00 0.00 C ATOM 411 O GLY A 30 -11.765 14.797 2.846 1.00 0.00 O ATOM 0 H GLY A 30 -11.296 11.081 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.572 13.268 0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.205 13.799 0.469 1.00 0.00 H new ATOM 415 N SER A 31 -11.930 12.639 3.461 1.00 0.00 N ATOM 416 CA SER A 31 -12.101 12.941 4.877 1.00 0.00 C ATOM 417 C SER A 31 -10.767 12.869 5.613 1.00 0.00 C ATOM 418 O SER A 31 -10.492 13.674 6.504 1.00 0.00 O ATOM 419 CB SER A 31 -13.099 11.970 5.511 1.00 0.00 C ATOM 420 OG SER A 31 -12.663 10.629 5.374 1.00 0.00 O ATOM 0 H SER A 31 -11.939 11.644 3.238 1.00 0.00 H new ATOM 0 HA SER A 31 -12.489 13.956 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.223 12.209 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.075 12.088 5.041 1.00 0.00 H new ATOM 0 HG SER A 31 -13.139 10.205 4.630 1.00 0.00 H new ATOM 426 N TYR A 32 -9.941 11.900 5.234 1.00 0.00 N ATOM 427 CA TYR A 32 -8.636 11.720 5.859 1.00 0.00 C ATOM 428 C TYR A 32 -7.542 12.398 5.040 1.00 0.00 C ATOM 429 O TYR A 32 -7.477 12.243 3.821 1.00 0.00 O ATOM 430 CB TYR A 32 -8.323 10.231 6.015 1.00 0.00 C ATOM 431 CG TYR A 32 -6.863 9.944 6.282 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.937 9.925 5.246 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.408 9.693 7.571 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.603 9.663 5.485 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.075 9.431 7.820 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.176 9.416 6.774 1.00 0.00 C ATOM 437 OH TYR A 32 -2.847 9.156 7.016 1.00 0.00 O ATOM 0 H TYR A 32 -10.152 11.227 4.497 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.667 12.183 6.845 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.920 9.827 6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.628 9.707 5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.267 10.119 4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.109 9.703 8.392 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.897 9.651 4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.738 9.239 8.828 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.528 8.474 6.389 1.00 0.00 H new ATOM 447 N ALA A 33 -6.683 13.150 5.721 1.00 0.00 N ATOM 448 CA ALA A 33 -5.590 13.851 5.058 1.00 0.00 C ATOM 449 C ALA A 33 -4.268 13.117 5.257 1.00 0.00 C ATOM 450 O ALA A 33 -3.729 13.048 6.362 1.00 0.00 O ATOM 451 CB ALA A 33 -5.487 15.278 5.576 1.00 0.00 C ATOM 0 H ALA A 33 -6.723 13.289 6.731 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.803 13.879 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.667 15.790 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.420 15.805 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.300 15.263 6.650 1.00 0.00 H new ATOM 457 N PRO A 34 -3.732 12.555 4.164 1.00 0.00 N ATOM 458 CA PRO A 34 -2.466 11.816 4.193 1.00 0.00 C ATOM 459 C PRO A 34 -1.268 12.728 4.432 1.00 0.00 C ATOM 460 O PRO A 34 -1.159 13.796 3.829 1.00 0.00 O ATOM 461 CB PRO A 34 -2.390 11.187 2.800 1.00 0.00 C ATOM 462 CG PRO A 34 -3.215 12.078 1.937 1.00 0.00 C ATOM 463 CD PRO A 34 -4.319 12.598 2.814 1.00 0.00 C ATOM 0 HA PRO A 34 -2.437 11.090 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.361 11.134 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.779 10.169 2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.617 12.896 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.618 11.531 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.611 13.610 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.213 11.978 2.745 1.00 0.00 H new ATOM 471 N ARG A 35 -0.370 12.301 5.314 1.00 0.00 N ATOM 472 CA ARG A 35 0.820 13.080 5.633 1.00 0.00 C ATOM 473 C ARG A 35 2.080 12.230 5.493 1.00 0.00 C ATOM 474 O ARG A 35 2.075 11.040 5.806 1.00 0.00 O ATOM 475 CB ARG A 35 0.724 13.639 7.053 1.00 0.00 C ATOM 476 CG ARG A 35 -0.598 14.328 7.349 1.00 0.00 C ATOM 477 CD ARG A 35 -0.711 15.656 6.616 1.00 0.00 C ATOM 478 NE ARG A 35 -2.013 16.285 6.819 1.00 0.00 N ATOM 479 CZ ARG A 35 -2.353 16.926 7.932 1.00 0.00 C ATOM 480 NH1 ARG A 35 -1.492 17.023 8.935 1.00 0.00 N ATOM 481 NH2 ARG A 35 -3.557 17.473 8.042 1.00 0.00 N ATOM 0 H ARG A 35 -0.444 11.419 5.821 1.00 0.00 H new ATOM 0 HA ARG A 35 0.881 13.909 4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.867 12.826 7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.537 14.348 7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.422 13.678 7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.690 14.495 8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.074 16.329 6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.548 15.497 5.550 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.698 16.229 6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.565 16.605 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.756 17.516 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.222 17.401 7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.817 17.965 8.897 1.00 0.00 H new ATOM 495 N ARG A 36 3.156 12.850 5.020 1.00 0.00 N ATOM 496 CA ARG A 36 4.422 12.151 4.837 1.00 0.00 C ATOM 497 C ARG A 36 4.854 11.461 6.128 1.00 0.00 C ATOM 498 O ARG A 36 5.259 12.116 7.088 1.00 0.00 O ATOM 499 CB ARG A 36 5.507 13.127 4.380 1.00 0.00 C ATOM 500 CG ARG A 36 6.857 12.470 4.143 1.00 0.00 C ATOM 501 CD ARG A 36 7.658 13.210 3.083 1.00 0.00 C ATOM 502 NE ARG A 36 9.095 12.998 3.235 1.00 0.00 N ATOM 503 CZ ARG A 36 10.015 13.750 2.642 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.651 14.758 1.861 1.00 0.00 N ATOM 505 NH2 ARG A 36 11.304 13.495 2.830 1.00 0.00 N ATOM 0 H ARG A 36 3.176 13.835 4.757 1.00 0.00 H new ATOM 0 HA ARG A 36 4.280 11.391 4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.182 13.613 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.620 13.909 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.420 12.447 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.710 11.435 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.345 12.876 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.441 14.276 3.143 1.00 0.00 H new ATOM 0 HE ARG A 36 9.409 12.231 3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.662 14.958 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.360 15.333 1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.588 12.721 3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.010 14.073 2.374 1.00 0.00 H new ATOM 519 N GLY A 37 4.763 10.135 6.144 1.00 0.00 N ATOM 520 CA GLY A 37 5.147 9.379 7.322 1.00 0.00 C ATOM 521 C GLY A 37 3.963 9.047 8.209 1.00 0.00 C ATOM 522 O GLY A 37 4.102 8.946 9.427 1.00 0.00 O ATOM 0 H GLY A 37 4.430 9.571 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.636 8.455 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.877 9.951 7.895 1.00 0.00 H new ATOM 526 N GLU A 38 2.795 8.879 7.596 1.00 0.00 N ATOM 527 CA GLU A 38 1.583 8.559 8.340 1.00 0.00 C ATOM 528 C GLU A 38 0.915 7.306 7.780 1.00 0.00 C ATOM 529 O GLU A 38 0.757 7.163 6.567 1.00 0.00 O ATOM 530 CB GLU A 38 0.605 9.735 8.295 1.00 0.00 C ATOM 531 CG GLU A 38 0.820 10.748 9.406 1.00 0.00 C ATOM 532 CD GLU A 38 0.494 10.188 10.777 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.612 9.634 10.945 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.347 10.304 11.682 1.00 0.00 O ATOM 0 H GLU A 38 2.663 8.959 6.588 1.00 0.00 H new ATOM 0 HA GLU A 38 1.863 8.368 9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.699 10.238 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.414 9.352 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.857 11.083 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.200 11.624 9.219 1.00 0.00 H new ATOM 541 N PHE A 39 0.526 6.401 8.671 1.00 0.00 N ATOM 542 CA PHE A 39 -0.122 5.159 8.267 1.00 0.00 C ATOM 543 C PHE A 39 -1.605 5.387 7.984 1.00 0.00 C ATOM 544 O PHE A 39 -2.226 6.283 8.557 1.00 0.00 O ATOM 545 CB PHE A 39 0.043 4.095 9.354 1.00 0.00 C ATOM 546 CG PHE A 39 1.444 3.565 9.465 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.936 2.668 8.530 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.269 3.963 10.505 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.224 2.178 8.631 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.559 3.477 10.610 1.00 0.00 C ATOM 551 CZ PHE A 39 4.037 2.584 9.672 1.00 0.00 C ATOM 0 H PHE A 39 0.648 6.504 9.678 1.00 0.00 H new ATOM 0 HA PHE A 39 0.356 4.810 7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.254 4.518 10.314 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.635 3.267 9.147 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.306 2.348 7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.900 4.661 11.242 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.595 1.478 7.897 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.192 3.796 11.425 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.045 2.203 9.752 1.00 0.00 H new ATOM 561 N CYS A 40 -2.163 4.571 7.097 1.00 0.00 N ATOM 562 CA CYS A 40 -3.572 4.684 6.736 1.00 0.00 C ATOM 563 C CYS A 40 -3.986 3.552 5.802 1.00 0.00 C ATOM 564 O CYS A 40 -3.167 2.711 5.429 1.00 0.00 O ATOM 565 CB CYS A 40 -3.844 6.035 6.073 1.00 0.00 C ATOM 566 SG CYS A 40 -2.684 6.454 4.750 1.00 0.00 S ATOM 0 H CYS A 40 -1.662 3.825 6.615 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.163 4.611 7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.856 6.032 5.667 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.808 6.815 6.834 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.996 7.613 4.250 1.00 0.00 H new ATOM 572 N ILE A 41 -5.261 3.536 5.428 1.00 0.00 N ATOM 573 CA ILE A 41 -5.783 2.507 4.538 1.00 0.00 C ATOM 574 C ILE A 41 -6.020 3.061 3.137 1.00 0.00 C ATOM 575 O ILE A 41 -6.616 4.125 2.971 1.00 0.00 O ATOM 576 CB ILE A 41 -7.101 1.915 5.073 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.161 3.011 5.204 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.869 1.231 6.412 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.509 2.495 5.656 1.00 0.00 C ATOM 0 H ILE A 41 -5.951 4.224 5.728 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.032 1.718 4.493 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.462 1.170 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.811 3.761 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.276 3.511 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.809 0.818 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.143 0.427 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.488 1.957 7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.211 3.326 5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.880 1.767 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.408 2.020 6.632 1.00 0.00 H new ATOM 591 N ALA A 42 -5.550 2.331 2.131 1.00 0.00 N ATOM 592 CA ALA A 42 -5.713 2.747 0.743 1.00 0.00 C ATOM 593 C ALA A 42 -6.629 1.791 -0.012 1.00 0.00 C ATOM 594 O ALA A 42 -6.572 0.576 0.182 1.00 0.00 O ATOM 595 CB ALA A 42 -4.359 2.837 0.056 1.00 0.00 C ATOM 0 H ALA A 42 -5.053 1.448 2.251 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.177 3.733 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.496 3.149 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.736 3.565 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.873 1.861 0.080 1.00 0.00 H new ATOM 601 N LYS A 43 -7.474 2.345 -0.875 1.00 0.00 N ATOM 602 CA LYS A 43 -8.403 1.542 -1.661 1.00 0.00 C ATOM 603 C LYS A 43 -7.742 1.043 -2.941 1.00 0.00 C ATOM 604 O LYS A 43 -7.218 1.831 -3.729 1.00 0.00 O ATOM 605 CB LYS A 43 -9.652 2.358 -2.003 1.00 0.00 C ATOM 606 CG LYS A 43 -10.910 1.518 -2.135 1.00 0.00 C ATOM 607 CD LYS A 43 -12.162 2.378 -2.093 1.00 0.00 C ATOM 608 CE LYS A 43 -13.389 1.559 -1.721 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.052 0.978 -2.921 1.00 0.00 N ATOM 0 H LYS A 43 -7.534 3.348 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.694 0.678 -1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.807 3.110 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.482 2.892 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.881 0.962 -3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.945 0.784 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.028 3.183 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.316 2.845 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.098 0.757 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.098 2.190 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.034 1.316 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.540 1.272 -3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.046 -0.060 -2.853 1.00 0.00 H new ATOM 623 N PHE A 44 -7.771 -0.270 -3.144 1.00 0.00 N ATOM 624 CA PHE A 44 -7.174 -0.874 -4.330 1.00 0.00 C ATOM 625 C PHE A 44 -8.147 -0.839 -5.505 1.00 0.00 C ATOM 626 O PHE A 44 -9.362 -0.774 -5.319 1.00 0.00 O ATOM 627 CB PHE A 44 -6.759 -2.317 -4.039 1.00 0.00 C ATOM 628 CG PHE A 44 -5.682 -2.827 -4.954 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.501 -2.121 -5.117 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.851 -4.012 -5.652 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.509 -2.588 -5.959 1.00 0.00 C ATOM 632 CE2 PHE A 44 -4.863 -4.484 -6.495 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.690 -3.771 -6.648 1.00 0.00 C ATOM 0 H PHE A 44 -8.201 -0.936 -2.503 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.289 -0.296 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.412 -2.386 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.633 -2.962 -4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.354 -1.195 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.766 -4.574 -5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.593 -2.028 -6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.008 -5.409 -7.033 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.916 -4.138 -7.305 1.00 0.00 H new ATOM 643 N VAL A 45 -7.603 -0.883 -6.718 1.00 0.00 N ATOM 644 CA VAL A 45 -8.421 -0.858 -7.924 1.00 0.00 C ATOM 645 C VAL A 45 -9.589 -1.831 -7.817 1.00 0.00 C ATOM 646 O VAL A 45 -10.589 -1.697 -8.522 1.00 0.00 O ATOM 647 CB VAL A 45 -7.590 -1.206 -9.173 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.436 -0.228 -9.337 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.080 -2.637 -9.091 1.00 0.00 C ATOM 0 H VAL A 45 -6.599 -0.936 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.806 0.157 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.232 -1.123 -10.050 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.860 -0.490 -10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.829 0.783 -9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.791 -0.276 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.495 -2.866 -9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.454 -2.750 -8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.926 -3.322 -9.026 1.00 0.00 H new ATOM 659 N ASP A 46 -9.456 -2.811 -6.929 1.00 0.00 N ATOM 660 CA ASP A 46 -10.502 -3.807 -6.727 1.00 0.00 C ATOM 661 C ASP A 46 -11.412 -3.412 -5.568 1.00 0.00 C ATOM 662 O ASP A 46 -12.034 -4.265 -4.936 1.00 0.00 O ATOM 663 CB ASP A 46 -9.883 -5.180 -6.461 1.00 0.00 C ATOM 664 CG ASP A 46 -9.294 -5.802 -7.712 1.00 0.00 C ATOM 665 OD1 ASP A 46 -9.871 -5.603 -8.801 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.256 -6.488 -7.602 1.00 0.00 O ATOM 0 H ASP A 46 -8.634 -2.937 -6.338 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.102 -3.857 -7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.104 -5.084 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.643 -5.845 -6.052 1.00 0.00 H new ATOM 671 N GLY A 47 -11.484 -2.113 -5.295 1.00 0.00 N ATOM 672 CA GLY A 47 -12.320 -1.628 -4.212 1.00 0.00 C ATOM 673 C GLY A 47 -11.976 -2.271 -2.883 1.00 0.00 C ATOM 674 O GLY A 47 -12.763 -2.216 -1.938 1.00 0.00 O ATOM 0 H GLY A 47 -10.979 -1.388 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.210 -0.547 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.366 -1.825 -4.448 1.00 0.00 H new ATOM 678 N GLU A 48 -10.798 -2.883 -2.809 1.00 0.00 N ATOM 679 CA GLU A 48 -10.355 -3.541 -1.586 1.00 0.00 C ATOM 680 C GLU A 48 -9.390 -2.650 -0.808 1.00 0.00 C ATOM 681 O GLU A 48 -8.359 -2.227 -1.333 1.00 0.00 O ATOM 682 CB GLU A 48 -9.682 -4.875 -1.913 1.00 0.00 C ATOM 683 CG GLU A 48 -10.634 -5.912 -2.486 1.00 0.00 C ATOM 684 CD GLU A 48 -11.462 -6.598 -1.417 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.729 -5.962 -0.376 1.00 0.00 O ATOM 686 OE2 GLU A 48 -11.842 -7.770 -1.621 1.00 0.00 O ATOM 0 H GLU A 48 -10.134 -2.937 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.232 -3.727 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.876 -4.701 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.226 -5.274 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.300 -5.432 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.062 -6.661 -3.034 1.00 0.00 H new ATOM 693 N TRP A 49 -9.733 -2.369 0.443 1.00 0.00 N ATOM 694 CA TRP A 49 -8.898 -1.527 1.294 1.00 0.00 C ATOM 695 C TRP A 49 -7.708 -2.312 1.836 1.00 0.00 C ATOM 696 O TRP A 49 -7.830 -3.492 2.168 1.00 0.00 O ATOM 697 CB TRP A 49 -9.721 -0.961 2.451 1.00 0.00 C ATOM 698 CG TRP A 49 -10.708 0.083 2.023 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.004 -0.121 1.643 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.478 1.493 1.930 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.593 1.077 1.319 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.679 2.082 1.488 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.376 2.315 2.180 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.805 3.455 1.289 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.503 3.677 1.982 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.710 4.236 1.541 1.00 0.00 C ATOM 0 H TRP A 49 -10.583 -2.711 0.892 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.521 -0.703 0.689 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.254 -1.776 2.941 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.046 -0.531 3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.494 -1.083 1.603 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.555 1.198 1.004 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.442 1.894 2.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.734 3.888 0.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.657 4.322 2.170 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.777 5.304 1.397 1.00 0.00 H new ATOM 717 N TYR A 50 -6.560 -1.651 1.923 1.00 0.00 N ATOM 718 CA TYR A 50 -5.347 -2.289 2.424 1.00 0.00 C ATOM 719 C TYR A 50 -4.502 -1.301 3.221 1.00 0.00 C ATOM 720 O TYR A 50 -4.579 -0.090 3.012 1.00 0.00 O ATOM 721 CB TYR A 50 -4.529 -2.858 1.263 1.00 0.00 C ATOM 722 CG TYR A 50 -5.240 -3.953 0.501 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.398 -5.219 1.050 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.753 -3.721 -0.769 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.046 -6.223 0.357 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.404 -4.718 -1.470 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.547 -5.968 -0.903 1.00 0.00 C ATOM 728 OH TYR A 50 -7.195 -6.964 -1.596 1.00 0.00 O ATOM 0 H TYR A 50 -6.443 -0.674 1.654 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.641 -3.104 3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.280 -2.050 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.588 -3.248 1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.007 -5.422 2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.641 -2.744 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.160 -7.202 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.799 -4.520 -2.456 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.487 -6.620 -2.466 1.00 0.00 H new ATOM 738 N ARG A 51 -3.693 -1.827 4.135 1.00 0.00 N ATOM 739 CA ARG A 51 -2.833 -0.993 4.965 1.00 0.00 C ATOM 740 C ARG A 51 -1.665 -0.440 4.154 1.00 0.00 C ATOM 741 O ARG A 51 -1.055 -1.154 3.359 1.00 0.00 O ATOM 742 CB ARG A 51 -2.305 -1.794 6.157 1.00 0.00 C ATOM 743 CG ARG A 51 -3.238 -1.786 7.357 1.00 0.00 C ATOM 744 CD ARG A 51 -2.475 -1.987 8.657 1.00 0.00 C ATOM 745 NE ARG A 51 -2.352 -3.399 9.007 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.384 -4.187 8.552 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.460 -3.702 7.734 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.338 -5.462 8.915 1.00 0.00 N ATOM 0 H ARG A 51 -3.615 -2.827 4.319 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.427 -0.156 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.136 -2.825 5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.338 -1.389 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.778 -0.840 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.983 -2.574 7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.481 -1.548 8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.984 -1.457 9.462 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.047 -3.802 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.491 -2.722 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.282 -4.309 7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.047 -5.839 9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.594 -6.065 8.565 1.00 0.00 H new ATOM 762 N ALA A 52 -1.360 0.837 4.359 1.00 0.00 N ATOM 763 CA ALA A 52 -0.265 1.486 3.648 1.00 0.00 C ATOM 764 C ALA A 52 0.270 2.678 4.434 1.00 0.00 C ATOM 765 O ALA A 52 -0.448 3.279 5.233 1.00 0.00 O ATOM 766 CB ALA A 52 -0.721 1.924 2.264 1.00 0.00 C ATOM 0 H ALA A 52 -1.856 1.443 5.012 1.00 0.00 H new ATOM 0 HA ALA A 52 0.544 0.764 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.106 2.407 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.047 1.053 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.549 2.626 2.359 1.00 0.00 H new ATOM 772 N ARG A 53 1.534 3.015 4.201 1.00 0.00 N ATOM 773 CA ARG A 53 2.166 4.134 4.889 1.00 0.00 C ATOM 774 C ARG A 53 2.533 5.240 3.904 1.00 0.00 C ATOM 775 O ARG A 53 3.298 5.020 2.964 1.00 0.00 O ATOM 776 CB ARG A 53 3.416 3.664 5.633 1.00 0.00 C ATOM 777 CG ARG A 53 4.091 4.758 6.444 1.00 0.00 C ATOM 778 CD ARG A 53 5.334 4.243 7.151 1.00 0.00 C ATOM 779 NE ARG A 53 5.871 5.217 8.097 1.00 0.00 N ATOM 780 CZ ARG A 53 6.926 4.987 8.870 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.554 3.821 8.810 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.354 5.925 9.706 1.00 0.00 N ATOM 0 H ARG A 53 2.141 2.529 3.541 1.00 0.00 H new ATOM 0 HA ARG A 53 1.453 4.534 5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.145 2.845 6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.129 3.266 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.361 5.585 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.390 5.152 7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.094 3.320 7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.096 3.998 6.411 1.00 0.00 H new ATOM 0 HE ARG A 53 5.410 6.124 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.227 3.098 8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.364 3.647 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.872 6.823 9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.164 5.748 10.300 1.00 0.00 H new ATOM 796 N VAL A 54 1.982 6.430 4.125 1.00 0.00 N ATOM 797 CA VAL A 54 2.252 7.570 3.257 1.00 0.00 C ATOM 798 C VAL A 54 3.751 7.778 3.073 1.00 0.00 C ATOM 799 O VAL A 54 4.481 7.991 4.040 1.00 0.00 O ATOM 800 CB VAL A 54 1.631 8.862 3.820 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.979 10.051 2.937 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.123 8.713 3.956 1.00 0.00 C ATOM 0 H VAL A 54 1.346 6.629 4.897 1.00 0.00 H new ATOM 0 HA VAL A 54 1.798 7.348 2.291 1.00 0.00 H new ATOM 0 HB VAL A 54 2.047 9.042 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.532 10.955 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.062 10.169 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.593 9.883 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.299 9.635 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.312 8.508 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.102 7.888 4.633 1.00 0.00 H new ATOM 812 N GLU A 55 4.202 7.715 1.824 1.00 0.00 N ATOM 813 CA GLU A 55 5.615 7.896 1.513 1.00 0.00 C ATOM 814 C GLU A 55 5.900 9.335 1.092 1.00 0.00 C ATOM 815 O GLU A 55 6.860 9.951 1.554 1.00 0.00 O ATOM 816 CB GLU A 55 6.044 6.934 0.404 1.00 0.00 C ATOM 817 CG GLU A 55 5.781 5.473 0.729 1.00 0.00 C ATOM 818 CD GLU A 55 6.397 4.529 -0.285 1.00 0.00 C ATOM 819 OE1 GLU A 55 5.848 4.416 -1.401 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.429 3.905 0.037 1.00 0.00 O ATOM 0 H GLU A 55 3.610 7.540 1.012 1.00 0.00 H new ATOM 0 HA GLU A 55 6.189 7.679 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.517 7.194 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.108 7.068 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.179 5.248 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.705 5.302 0.772 1.00 0.00 H new ATOM 827 N LYS A 56 5.058 9.865 0.211 1.00 0.00 N ATOM 828 CA LYS A 56 5.216 11.231 -0.274 1.00 0.00 C ATOM 829 C LYS A 56 3.877 11.807 -0.723 1.00 0.00 C ATOM 830 O LYS A 56 3.288 11.345 -1.701 1.00 0.00 O ATOM 831 CB LYS A 56 6.215 11.270 -1.432 1.00 0.00 C ATOM 832 CG LYS A 56 5.935 12.372 -2.440 1.00 0.00 C ATOM 833 CD LYS A 56 7.132 12.620 -3.342 1.00 0.00 C ATOM 834 CE LYS A 56 7.012 13.948 -4.074 1.00 0.00 C ATOM 835 NZ LYS A 56 7.141 15.106 -3.146 1.00 0.00 N ATOM 0 H LYS A 56 4.258 9.368 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 56 5.596 11.840 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.219 11.403 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.202 10.308 -1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.071 12.100 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.678 13.291 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.045 12.612 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.217 11.810 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.783 14.010 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.050 13.996 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.376 15.961 -3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.242 15.250 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.896 14.916 -2.456 1.00 0.00 H new ATOM 849 N VAL A 57 3.402 12.819 -0.004 1.00 0.00 N ATOM 850 CA VAL A 57 2.134 13.460 -0.330 1.00 0.00 C ATOM 851 C VAL A 57 2.337 14.616 -1.303 1.00 0.00 C ATOM 852 O VAL A 57 2.840 15.675 -0.928 1.00 0.00 O ATOM 853 CB VAL A 57 1.429 13.985 0.934 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.029 14.478 0.599 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.381 12.906 2.005 1.00 0.00 C ATOM 0 H VAL A 57 3.877 13.213 0.808 1.00 0.00 H new ATOM 0 HA VAL A 57 1.507 12.701 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 57 2.001 14.827 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.454 14.845 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.092 15.285 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.556 13.658 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.879 13.295 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.833 12.043 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.396 12.606 2.265 1.00 0.00 H new ATOM 865 N GLU A 58 1.942 14.405 -2.555 1.00 0.00 N ATOM 866 CA GLU A 58 2.081 15.431 -3.582 1.00 0.00 C ATOM 867 C GLU A 58 0.896 16.392 -3.556 1.00 0.00 C ATOM 868 O GLU A 58 1.051 17.578 -3.265 1.00 0.00 O ATOM 869 CB GLU A 58 2.199 14.787 -4.965 1.00 0.00 C ATOM 870 CG GLU A 58 3.614 14.358 -5.318 1.00 0.00 C ATOM 871 CD GLU A 58 4.518 15.533 -5.634 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.330 16.607 -5.026 1.00 0.00 O ATOM 873 OE2 GLU A 58 5.414 15.378 -6.489 1.00 0.00 O ATOM 0 H GLU A 58 1.524 13.534 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 58 2.989 15.996 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.543 13.918 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.844 15.492 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.036 13.793 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.583 13.687 -6.177 1.00 0.00 H new ATOM 880 N SER A 59 -0.287 15.871 -3.864 1.00 0.00 N ATOM 881 CA SER A 59 -1.499 16.682 -3.880 1.00 0.00 C ATOM 882 C SER A 59 -2.720 15.843 -3.515 1.00 0.00 C ATOM 883 O SER A 59 -2.698 14.613 -3.570 1.00 0.00 O ATOM 884 CB SER A 59 -1.695 17.315 -5.259 1.00 0.00 C ATOM 885 OG SER A 59 -0.451 17.538 -5.899 1.00 0.00 O ATOM 0 H SER A 59 -0.432 14.891 -4.106 1.00 0.00 H new ATOM 0 HA SER A 59 -1.388 17.472 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.314 16.664 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.229 18.260 -5.156 1.00 0.00 H new ATOM 0 HG SER A 59 -0.604 17.942 -6.779 1.00 0.00 H new ATOM 891 N PRO A 60 -3.811 16.522 -3.133 1.00 0.00 N ATOM 892 CA PRO A 60 -5.062 15.861 -2.752 1.00 0.00 C ATOM 893 C PRO A 60 -5.486 14.797 -3.759 1.00 0.00 C ATOM 894 O PRO A 60 -6.317 13.941 -3.458 1.00 0.00 O ATOM 895 CB PRO A 60 -6.076 17.007 -2.727 1.00 0.00 C ATOM 896 CG PRO A 60 -5.264 18.226 -2.455 1.00 0.00 C ATOM 897 CD PRO A 60 -3.908 17.989 -3.044 1.00 0.00 C ATOM 0 HA PRO A 60 -4.971 15.333 -1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.605 17.088 -3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.829 16.852 -1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.729 19.106 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.192 18.410 -1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.811 18.456 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.121 18.404 -2.414 1.00 0.00 H new ATOM 905 N ALA A 61 -4.908 14.856 -4.954 1.00 0.00 N ATOM 906 CA ALA A 61 -5.224 13.896 -6.004 1.00 0.00 C ATOM 907 C ALA A 61 -4.095 12.887 -6.183 1.00 0.00 C ATOM 908 O ALA A 61 -4.299 11.800 -6.723 1.00 0.00 O ATOM 909 CB ALA A 61 -5.501 14.619 -7.314 1.00 0.00 C ATOM 0 H ALA A 61 -4.218 15.559 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.120 13.351 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.736 13.890 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.346 15.296 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.620 15.190 -7.608 1.00 0.00 H new ATOM 915 N LYS A 62 -2.902 13.254 -5.727 1.00 0.00 N ATOM 916 CA LYS A 62 -1.739 12.382 -5.836 1.00 0.00 C ATOM 917 C LYS A 62 -1.072 12.192 -4.478 1.00 0.00 C ATOM 918 O LYS A 62 -0.538 13.140 -3.900 1.00 0.00 O ATOM 919 CB LYS A 62 -0.733 12.960 -6.834 1.00 0.00 C ATOM 920 CG LYS A 62 -1.222 12.941 -8.272 1.00 0.00 C ATOM 921 CD LYS A 62 -0.067 12.827 -9.252 1.00 0.00 C ATOM 922 CE LYS A 62 -0.525 12.263 -10.589 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.098 13.319 -11.469 1.00 0.00 N ATOM 0 H LYS A 62 -2.715 14.151 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.078 11.410 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.503 13.987 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.197 12.395 -6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.905 12.103 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.786 13.851 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.381 13.809 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.707 12.185 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.318 11.790 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.271 11.487 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.398 12.895 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.918 13.754 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.378 14.047 -11.652 1.00 0.00 H new ATOM 937 N ILE A 63 -1.105 10.963 -3.974 1.00 0.00 N ATOM 938 CA ILE A 63 -0.501 10.650 -2.684 1.00 0.00 C ATOM 939 C ILE A 63 0.330 9.374 -2.762 1.00 0.00 C ATOM 940 O ILE A 63 -0.211 8.275 -2.893 1.00 0.00 O ATOM 941 CB ILE A 63 -1.570 10.488 -1.587 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.670 11.537 -1.757 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.934 10.597 -0.209 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.272 12.914 -1.275 1.00 0.00 C ATOM 0 H ILE A 63 -1.543 10.168 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 63 0.147 11.488 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.020 9.500 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.946 11.595 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.557 11.213 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.701 10.481 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.183 9.815 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.461 11.573 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.100 13.606 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.025 12.871 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.404 13.259 -1.836 1.00 0.00 H new ATOM 956 N HIS A 64 1.648 9.526 -2.679 1.00 0.00 N ATOM 957 CA HIS A 64 2.554 8.385 -2.737 1.00 0.00 C ATOM 958 C HIS A 64 2.467 7.556 -1.460 1.00 0.00 C ATOM 959 O HIS A 64 2.653 8.073 -0.358 1.00 0.00 O ATOM 960 CB HIS A 64 3.992 8.859 -2.954 1.00 0.00 C ATOM 961 CG HIS A 64 4.165 9.707 -4.177 1.00 0.00 C ATOM 962 ND1 HIS A 64 5.027 9.381 -5.202 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.579 10.873 -4.536 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.965 10.311 -6.138 1.00 0.00 C ATOM 965 NE2 HIS A 64 4.093 11.228 -5.758 1.00 0.00 N ATOM 0 H HIS A 64 2.112 10.428 -2.571 1.00 0.00 H new ATOM 0 HA HIS A 64 2.255 7.758 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.315 9.425 -2.080 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.645 7.990 -3.029 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.620 8.552 -5.233 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.844 11.422 -3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.531 10.320 -7.058 1.00 0.00 H new ATOM 973 N VAL A 65 2.182 6.267 -1.615 1.00 0.00 N ATOM 974 CA VAL A 65 2.070 5.366 -0.474 1.00 0.00 C ATOM 975 C VAL A 65 2.663 3.998 -0.793 1.00 0.00 C ATOM 976 O VAL A 65 2.955 3.691 -1.949 1.00 0.00 O ATOM 977 CB VAL A 65 0.602 5.188 -0.040 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.120 6.411 0.725 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.281 4.923 -1.250 1.00 0.00 C ATOM 0 H VAL A 65 2.024 5.823 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 65 2.630 5.820 0.343 1.00 0.00 H new ATOM 0 HB VAL A 65 0.538 4.326 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.918 6.268 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.737 6.551 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.196 7.292 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.314 4.800 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.215 5.764 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.053 4.015 -1.752 1.00 0.00 H new ATOM 989 N PHE A 66 2.838 3.180 0.239 1.00 0.00 N ATOM 990 CA PHE A 66 3.397 1.844 0.069 1.00 0.00 C ATOM 991 C PHE A 66 2.624 0.821 0.896 1.00 0.00 C ATOM 992 O PHE A 66 2.557 0.920 2.122 1.00 0.00 O ATOM 993 CB PHE A 66 4.873 1.830 0.471 1.00 0.00 C ATOM 994 CG PHE A 66 5.408 0.453 0.742 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.258 -0.129 1.991 1.00 0.00 C ATOM 996 CD2 PHE A 66 6.062 -0.258 -0.251 1.00 0.00 C ATOM 997 CE1 PHE A 66 5.749 -1.397 2.243 1.00 0.00 C ATOM 998 CE2 PHE A 66 6.555 -1.526 -0.004 1.00 0.00 C ATOM 999 CZ PHE A 66 6.399 -2.095 1.245 1.00 0.00 C ATOM 0 H PHE A 66 2.601 3.419 1.202 1.00 0.00 H new ATOM 0 HA PHE A 66 3.312 1.574 -0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.462 2.290 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.004 2.444 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.752 0.414 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.188 0.183 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.624 -1.841 3.220 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.062 -2.071 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.785 -3.085 1.440 1.00 0.00 H new ATOM 1009 N TYR A 67 2.040 -0.160 0.217 1.00 0.00 N ATOM 1010 CA TYR A 67 1.268 -1.200 0.888 1.00 0.00 C ATOM 1011 C TYR A 67 2.162 -2.044 1.791 1.00 0.00 C ATOM 1012 O TYR A 67 2.992 -2.818 1.314 1.00 0.00 O ATOM 1013 CB TYR A 67 0.575 -2.093 -0.141 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.504 -1.385 -0.929 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.179 -0.488 -1.939 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.849 -1.613 -0.663 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.162 0.162 -2.661 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.838 -0.969 -1.381 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.490 -0.082 -2.378 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.471 0.562 -3.095 1.00 0.00 O ATOM 0 H TYR A 67 2.086 -0.257 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 67 0.512 -0.715 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.322 -2.483 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.136 -2.950 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.860 -0.295 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.126 -2.305 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.892 0.857 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.878 -1.159 -1.163 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.352 0.278 -2.772 1.00 0.00 H new ATOM 1030 N ILE A 68 1.984 -1.890 3.099 1.00 0.00 N ATOM 1031 CA ILE A 68 2.772 -2.639 4.070 1.00 0.00 C ATOM 1032 C ILE A 68 2.206 -4.040 4.275 1.00 0.00 C ATOM 1033 O ILE A 68 2.522 -4.712 5.257 1.00 0.00 O ATOM 1034 CB ILE A 68 2.826 -1.916 5.429 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.514 -2.116 6.190 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.109 -0.435 5.230 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.532 -1.536 7.587 1.00 0.00 C ATOM 0 H ILE A 68 1.301 -1.254 3.510 1.00 0.00 H new ATOM 0 HA ILE A 68 3.782 -2.713 3.666 1.00 0.00 H new ATOM 0 HB ILE A 68 3.636 -2.344 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.702 -1.658 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.297 -3.183 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.144 0.062 6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.067 -0.312 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.319 0.008 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.570 -1.714 8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.322 -2.012 8.168 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.717 -0.463 7.533 1.00 0.00 H new ATOM 1049 N ASP A 69 1.368 -4.476 3.340 1.00 0.00 N ATOM 1050 CA ASP A 69 0.759 -5.799 3.415 1.00 0.00 C ATOM 1051 C ASP A 69 1.311 -6.713 2.326 1.00 0.00 C ATOM 1052 O ASP A 69 1.442 -7.922 2.523 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.761 -5.692 3.287 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.354 -4.691 4.259 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.079 -4.806 5.471 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.096 -3.793 3.808 1.00 0.00 O ATOM 0 H ASP A 69 1.095 -3.932 2.521 1.00 0.00 H new ATOM 0 HA ASP A 69 1.004 -6.231 4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.017 -5.401 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.207 -6.671 3.461 1.00 0.00 H new ATOM 1061 N TYR A 70 1.631 -6.130 1.176 1.00 0.00 N ATOM 1062 CA TYR A 70 2.164 -6.893 0.054 1.00 0.00 C ATOM 1063 C TYR A 70 3.579 -6.437 -0.290 1.00 0.00 C ATOM 1064 O TYR A 70 4.473 -7.256 -0.500 1.00 0.00 O ATOM 1065 CB TYR A 70 1.257 -6.744 -1.168 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.143 -7.271 -0.951 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.048 -6.586 -0.149 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.562 -8.453 -1.548 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.328 -7.064 0.053 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -1.841 -8.938 -1.352 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.720 -8.240 -0.551 1.00 0.00 C ATOM 1072 OH TYR A 70 -3.995 -8.719 -0.353 1.00 0.00 O ATOM 0 H TYR A 70 1.530 -5.131 0.996 1.00 0.00 H new ATOM 0 HA TYR A 70 2.200 -7.943 0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.201 -5.691 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.707 -7.269 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.745 -5.664 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.124 -9.002 -2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.018 -6.520 0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.151 -9.859 -1.824 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.595 -7.974 -0.140 1.00 0.00 H new ATOM 1082 N GLY A 71 3.774 -5.123 -0.345 1.00 0.00 N ATOM 1083 CA GLY A 71 5.082 -4.580 -0.664 1.00 0.00 C ATOM 1084 C GLY A 71 5.113 -3.900 -2.018 1.00 0.00 C ATOM 1085 O GLY A 71 6.008 -4.150 -2.825 1.00 0.00 O ATOM 0 H GLY A 71 3.050 -4.425 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.372 -3.864 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.819 -5.383 -0.647 1.00 0.00 H new ATOM 1089 N ASN A 72 4.132 -3.040 -2.270 1.00 0.00 N ATOM 1090 CA ASN A 72 4.049 -2.324 -3.537 1.00 0.00 C ATOM 1091 C ASN A 72 3.713 -0.853 -3.310 1.00 0.00 C ATOM 1092 O ASN A 72 3.043 -0.502 -2.339 1.00 0.00 O ATOM 1093 CB ASN A 72 2.996 -2.966 -4.442 1.00 0.00 C ATOM 1094 CG ASN A 72 1.619 -2.980 -3.807 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.402 -3.631 -2.784 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.681 -2.262 -4.412 1.00 0.00 N ATOM 0 H ASN A 72 3.383 -2.822 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 72 5.022 -2.385 -4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.952 -2.423 -5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.296 -3.988 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.265 -2.234 -4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.906 -1.738 -5.258 1.00 0.00 H new ATOM 1103 N ARG A 73 4.181 0.002 -4.213 1.00 0.00 N ATOM 1104 CA ARG A 73 3.930 1.435 -4.111 1.00 0.00 C ATOM 1105 C ARG A 73 2.961 1.895 -5.196 1.00 0.00 C ATOM 1106 O ARG A 73 3.040 1.451 -6.341 1.00 0.00 O ATOM 1107 CB ARG A 73 5.243 2.213 -4.221 1.00 0.00 C ATOM 1108 CG ARG A 73 6.372 1.622 -3.393 1.00 0.00 C ATOM 1109 CD ARG A 73 7.719 2.204 -3.793 1.00 0.00 C ATOM 1110 NE ARG A 73 8.238 1.594 -5.014 1.00 0.00 N ATOM 1111 CZ ARG A 73 8.014 2.078 -6.230 1.00 0.00 C ATOM 1112 NH1 ARG A 73 7.284 3.174 -6.387 1.00 0.00 N ATOM 1113 NH2 ARG A 73 8.520 1.467 -7.293 1.00 0.00 N ATOM 0 H ARG A 73 4.736 -0.272 -5.024 1.00 0.00 H new ATOM 0 HA ARG A 73 3.479 1.632 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.549 2.246 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.073 3.243 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.190 1.816 -2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.390 0.540 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.620 3.280 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.433 2.057 -2.982 1.00 0.00 H new ATOM 0 HE ARG A 73 8.804 0.750 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.893 3.647 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.114 3.544 -7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.082 0.624 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.347 1.840 -8.226 1.00 0.00 H new ATOM 1127 N GLU A 74 2.048 2.788 -4.827 1.00 0.00 N ATOM 1128 CA GLU A 74 1.063 3.307 -5.768 1.00 0.00 C ATOM 1129 C GLU A 74 0.660 4.733 -5.403 1.00 0.00 C ATOM 1130 O GLU A 74 0.446 5.049 -4.233 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.173 2.407 -5.796 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.210 2.826 -6.824 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.805 2.465 -8.241 1.00 0.00 C ATOM 1134 OE1 GLU A 74 0.011 3.202 -8.832 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.306 1.444 -8.757 1.00 0.00 O ATOM 0 H GLU A 74 1.970 3.167 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 74 1.517 3.319 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.138 1.383 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.633 2.406 -4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.162 2.350 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.367 3.903 -6.758 1.00 0.00 H new ATOM 1142 N VAL A 75 0.558 5.590 -6.414 1.00 0.00 N ATOM 1143 CA VAL A 75 0.180 6.982 -6.201 1.00 0.00 C ATOM 1144 C VAL A 75 -1.332 7.160 -6.282 1.00 0.00 C ATOM 1145 O VAL A 75 -1.895 7.297 -7.369 1.00 0.00 O ATOM 1146 CB VAL A 75 0.851 7.910 -7.231 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.416 9.351 -7.014 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.365 7.784 -7.154 1.00 0.00 C ATOM 0 H VAL A 75 0.732 5.345 -7.389 1.00 0.00 H new ATOM 0 HA VAL A 75 0.522 7.253 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 75 0.534 7.606 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.900 9.992 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.666 9.425 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.702 9.670 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.823 8.446 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.703 8.061 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.656 6.754 -7.363 1.00 0.00 H new ATOM 1158 N LEU A 76 -1.985 7.157 -5.125 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.434 7.318 -5.064 1.00 0.00 C ATOM 1160 C LEU A 76 -3.807 8.639 -4.400 1.00 0.00 C ATOM 1161 O LEU A 76 -3.069 9.177 -3.574 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.065 6.153 -4.299 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.593 4.754 -4.698 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.699 3.799 -3.519 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.399 4.236 -5.880 1.00 0.00 C ATOM 0 H LEU A 76 -1.535 7.045 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.818 7.324 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.867 6.292 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.146 6.201 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.547 4.816 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.359 2.809 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.078 4.162 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.736 3.742 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.049 3.240 -6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.454 4.189 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.272 4.908 -6.729 1.00 0.00 H new ATOM 1177 N PRO A 77 -4.981 9.175 -4.765 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.481 10.438 -4.214 1.00 0.00 C ATOM 1179 C PRO A 77 -5.882 10.313 -2.749 1.00 0.00 C ATOM 1180 O PRO A 77 -5.867 9.220 -2.182 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.705 10.743 -5.080 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.157 9.414 -5.579 1.00 0.00 C ATOM 1183 CD PRO A 77 -5.912 8.588 -5.744 1.00 0.00 C ATOM 0 HA PRO A 77 -4.722 11.220 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.487 11.235 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.451 11.410 -5.904 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.845 8.946 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.688 9.513 -6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.099 7.534 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.520 8.651 -6.759 1.00 0.00 H new ATOM 1191 N SER A 78 -6.242 11.439 -2.140 1.00 0.00 N ATOM 1192 CA SER A 78 -6.645 11.455 -0.739 1.00 0.00 C ATOM 1193 C SER A 78 -8.064 10.918 -0.575 1.00 0.00 C ATOM 1194 O SER A 78 -8.611 10.900 0.528 1.00 0.00 O ATOM 1195 CB SER A 78 -6.558 12.876 -0.178 1.00 0.00 C ATOM 1196 OG SER A 78 -7.170 12.959 1.097 1.00 0.00 O ATOM 0 H SER A 78 -6.263 12.352 -2.595 1.00 0.00 H new ATOM 0 HA SER A 78 -5.964 10.810 -0.184 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.513 13.178 -0.104 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.043 13.571 -0.863 1.00 0.00 H new ATOM 0 HG SER A 78 -7.576 12.096 1.322 1.00 0.00 H new ATOM 1202 N THR A 79 -8.656 10.481 -1.683 1.00 0.00 N ATOM 1203 CA THR A 79 -10.011 9.944 -1.664 1.00 0.00 C ATOM 1204 C THR A 79 -10.009 8.457 -1.330 1.00 0.00 C ATOM 1205 O THR A 79 -10.851 7.981 -0.569 1.00 0.00 O ATOM 1206 CB THR A 79 -10.717 10.154 -3.017 1.00 0.00 C ATOM 1207 OG1 THR A 79 -9.888 9.674 -4.082 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.036 11.625 -3.239 1.00 0.00 C ATOM 0 H THR A 79 -8.218 10.489 -2.604 1.00 0.00 H new ATOM 0 HA THR A 79 -10.555 10.486 -0.890 1.00 0.00 H new ATOM 0 HB THR A 79 -11.652 9.594 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.345 9.810 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.534 11.748 -4.201 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.691 11.979 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.112 12.203 -3.233 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.057 7.728 -1.903 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.946 6.293 -1.666 1.00 0.00 C ATOM 1218 C ARG A 80 -8.273 6.014 -0.326 1.00 0.00 C ATOM 1219 O ARG A 80 -8.149 4.862 0.091 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.156 5.628 -2.795 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.238 6.373 -4.117 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.004 5.442 -5.297 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.417 6.046 -6.561 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.350 5.421 -7.730 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -7.889 4.179 -7.797 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -8.745 6.037 -8.837 1.00 0.00 N ATOM 0 H ARG A 80 -8.351 8.107 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.952 5.875 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.111 5.548 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.526 4.612 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.217 6.842 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.498 7.173 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.947 5.181 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.555 4.514 -5.142 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.777 7.000 -6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.585 3.701 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.839 3.701 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.101 6.992 -8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.693 5.556 -9.735 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.838 7.076 0.344 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.176 6.946 1.637 1.00 0.00 C ATOM 1242 C LEU A 81 -8.140 7.261 2.777 1.00 0.00 C ATOM 1243 O LEU A 81 -8.985 8.147 2.661 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.964 7.877 1.708 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.901 7.677 0.627 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.956 8.868 0.581 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.127 6.390 0.871 1.00 0.00 C ATOM 0 H LEU A 81 -7.932 8.036 0.013 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.841 5.914 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.318 8.907 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.491 7.752 2.682 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.402 7.599 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.206 8.708 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.521 9.773 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.462 8.978 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.375 6.264 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.637 6.439 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.813 5.544 0.853 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.005 6.529 3.878 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.869 6.746 5.024 1.00 0.00 C ATOM 1261 C GLY A 82 -8.171 6.463 6.339 1.00 0.00 C ATOM 1262 O GLY A 82 -7.045 5.964 6.359 1.00 0.00 O ATOM 0 H GLY A 82 -7.313 5.789 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.222 7.777 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.748 6.107 4.938 1.00 0.00 H new ATOM 1266 N THR A 83 -8.840 6.782 7.443 1.00 0.00 N ATOM 1267 CA THR A 83 -8.275 6.561 8.769 1.00 0.00 C ATOM 1268 C THR A 83 -8.147 5.073 9.071 1.00 0.00 C ATOM 1269 O THR A 83 -9.130 4.332 9.026 1.00 0.00 O ATOM 1270 CB THR A 83 -9.135 7.223 9.862 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.708 8.438 9.367 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.303 7.516 11.101 1.00 0.00 C ATOM 0 H THR A 83 -9.773 7.194 7.445 1.00 0.00 H new ATOM 0 HA THR A 83 -7.284 7.015 8.771 1.00 0.00 H new ATOM 0 HB THR A 83 -9.932 6.531 10.134 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.254 8.851 10.068 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.931 7.983 11.859 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.893 6.585 11.493 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.487 8.190 10.840 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.929 4.640 9.379 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.672 3.238 9.689 1.00 0.00 C ATOM 1282 C LEU A 84 -7.064 2.918 11.128 1.00 0.00 C ATOM 1283 O LEU A 84 -6.413 3.365 12.073 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.195 2.909 9.466 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.691 1.614 10.106 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.526 0.430 9.643 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.221 1.394 9.779 1.00 0.00 C ATOM 0 H LEU A 84 -6.105 5.239 9.421 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.279 2.626 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.014 2.855 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.597 3.736 9.849 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.792 1.702 11.188 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.153 -0.482 10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.566 0.584 9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.458 0.338 8.559 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.880 0.468 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.095 1.327 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.634 2.229 10.162 1.00 0.00 H new ATOM 1299 N SER A 85 -8.130 2.140 11.287 1.00 0.00 N ATOM 1300 CA SER A 85 -8.609 1.762 12.611 1.00 0.00 C ATOM 1301 C SER A 85 -7.511 1.064 13.408 1.00 0.00 C ATOM 1302 O SER A 85 -6.689 0.326 12.866 1.00 0.00 O ATOM 1303 CB SER A 85 -9.829 0.845 12.492 1.00 0.00 C ATOM 1304 OG SER A 85 -10.243 0.380 13.765 1.00 0.00 O ATOM 0 H SER A 85 -8.678 1.759 10.516 1.00 0.00 H new ATOM 0 HA SER A 85 -8.896 2.671 13.140 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.647 1.383 12.014 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.589 -0.004 11.852 1.00 0.00 H new ATOM 0 HG SER A 85 -11.025 -0.202 13.662 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.496 1.304 14.728 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.505 0.709 15.629 1.00 0.00 C ATOM 1312 C PRO A 86 -6.708 -0.792 15.805 1.00 0.00 C ATOM 1313 O PRO A 86 -5.785 -1.513 16.182 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.745 1.440 16.952 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.166 1.880 16.890 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.445 2.174 15.442 1.00 0.00 C ATOM 0 HA PRO A 86 -5.490 0.815 15.246 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.571 0.783 17.804 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.072 2.290 17.062 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.832 1.103 17.266 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.328 2.764 17.506 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.477 1.945 15.177 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.281 3.226 15.207 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.922 -1.256 15.528 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.246 -2.672 15.653 1.00 0.00 C ATOM 1326 C ALA A 87 -7.656 -3.474 14.498 1.00 0.00 C ATOM 1327 O ALA A 87 -7.367 -4.663 14.638 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.754 -2.865 15.717 1.00 0.00 C ATOM 0 H ALA A 87 -8.698 -0.672 15.215 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.805 -3.040 16.579 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.981 -3.927 15.810 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.153 -2.331 16.580 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.210 -2.475 14.807 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.481 -2.817 13.356 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.927 -3.470 12.176 1.00 0.00 C ATOM 1336 C PHE A 88 -5.519 -2.960 11.882 1.00 0.00 C ATOM 1337 O PHE A 88 -4.829 -3.479 11.005 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.831 -3.232 10.964 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.293 -3.404 11.264 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.757 -4.559 11.874 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.202 -2.412 10.936 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.102 -4.720 12.151 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.548 -2.568 11.211 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.998 -3.723 11.819 1.00 0.00 C ATOM 0 H PHE A 88 -7.715 -1.833 13.223 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.872 -4.540 12.376 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.662 -2.223 10.587 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.548 -3.921 10.169 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.060 -5.342 12.136 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.856 -1.506 10.460 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.452 -5.625 12.627 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.247 -1.787 10.950 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.049 -3.847 12.035 1.00 0.00 H new ATOM 1354 N SER A 89 -5.101 -1.938 12.622 1.00 0.00 N ATOM 1355 CA SER A 89 -3.777 -1.353 12.439 1.00 0.00 C ATOM 1356 C SER A 89 -2.689 -2.411 12.599 1.00 0.00 C ATOM 1357 O SER A 89 -2.794 -3.305 13.440 1.00 0.00 O ATOM 1358 CB SER A 89 -3.554 -0.220 13.442 1.00 0.00 C ATOM 1359 OG SER A 89 -3.425 -0.723 14.760 1.00 0.00 O ATOM 0 H SER A 89 -5.659 -1.498 13.353 1.00 0.00 H new ATOM 0 HA SER A 89 -3.721 -0.950 11.428 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.657 0.337 13.173 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.389 0.479 13.397 1.00 0.00 H new ATOM 0 HG SER A 89 -4.301 -1.021 15.083 1.00 0.00 H new ATOM 1365 N THR A 90 -1.644 -2.303 11.785 1.00 0.00 N ATOM 1366 CA THR A 90 -0.536 -3.249 11.834 1.00 0.00 C ATOM 1367 C THR A 90 -0.070 -3.477 13.268 1.00 0.00 C ATOM 1368 O THR A 90 0.540 -4.500 13.577 1.00 0.00 O ATOM 1369 CB THR A 90 0.657 -2.763 10.990 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.737 -3.697 11.084 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.124 -1.391 11.453 1.00 0.00 C ATOM 0 H THR A 90 -1.542 -1.570 11.084 1.00 0.00 H new ATOM 0 HA THR A 90 -0.905 -4.188 11.421 1.00 0.00 H new ATOM 0 HB THR A 90 0.332 -2.688 9.952 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.422 -4.589 10.827 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.967 -1.068 10.842 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.308 -0.676 11.352 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.432 -1.445 12.497 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.362 -2.517 14.139 1.00 0.00 N ATOM 1380 CA ARG A 91 0.028 -2.613 15.541 1.00 0.00 C ATOM 1381 C ARG A 91 -0.269 -4.003 16.094 1.00 0.00 C ATOM 1382 O ARG A 91 0.355 -4.445 17.059 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.705 -1.556 16.369 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.106 -0.164 16.248 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.847 0.839 17.118 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.126 2.104 17.230 1.00 0.00 N ATOM 1387 CZ ARG A 91 -0.644 3.199 17.775 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -1.880 3.184 18.256 1.00 0.00 N ATOM 1389 NH2 ARG A 91 0.074 4.313 17.841 1.00 0.00 N ATOM 0 H ARG A 91 -0.867 -1.664 13.899 1.00 0.00 H new ATOM 0 HA ARG A 91 1.102 -2.437 15.607 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.749 -1.522 16.057 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.696 -1.857 17.417 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.944 -0.192 16.538 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.141 0.159 15.208 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.836 1.022 16.698 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.995 0.417 18.112 1.00 0.00 H new ATOM 0 HE ARG A 91 0.827 2.149 16.870 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.436 2.330 18.208 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.275 4.027 18.674 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.025 4.329 17.473 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.325 5.153 18.260 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.226 -4.689 15.475 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.605 -6.030 15.905 1.00 0.00 C ATOM 1405 C VAL A 92 -0.924 -7.093 15.051 1.00 0.00 C ATOM 1406 O VAL A 92 -0.527 -8.146 15.551 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.130 -6.231 15.836 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.537 -7.493 16.581 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.853 -5.015 16.396 1.00 0.00 C ATOM 0 H VAL A 92 -1.752 -4.338 14.675 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.279 -6.135 16.940 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.417 -6.347 14.791 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.618 -7.618 16.521 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.046 -8.356 16.130 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.239 -7.411 17.626 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.930 -5.174 16.340 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.562 -4.866 17.436 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.586 -4.133 15.814 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.792 -6.812 13.759 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.158 -7.744 12.834 1.00 0.00 C ATOM 1421 C LEU A 93 1.028 -7.092 12.130 1.00 0.00 C ATOM 1422 O LEU A 93 0.971 -5.938 11.705 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.172 -8.236 11.799 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.802 -9.518 11.053 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.807 -10.707 12.001 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.757 -9.754 9.893 1.00 0.00 C ATOM 0 H LEU A 93 -1.116 -5.946 13.329 1.00 0.00 H new ATOM 0 HA LEU A 93 0.207 -8.595 13.409 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.126 -8.395 12.302 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.326 -7.444 11.066 1.00 0.00 H new ATOM 0 HG LEU A 93 0.205 -9.405 10.651 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.541 -11.611 11.453 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.082 -10.540 12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.801 -10.824 12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.479 -10.671 9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.775 -9.847 10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.703 -8.914 9.201 1.00 0.00 H new ATOM 1438 N PRO A 94 2.129 -7.847 12.002 1.00 0.00 N ATOM 1439 CA PRO A 94 3.349 -7.364 11.348 1.00 0.00 C ATOM 1440 C PRO A 94 3.171 -7.194 9.843 1.00 0.00 C ATOM 1441 O PRO A 94 2.507 -8.000 9.192 1.00 0.00 O ATOM 1442 CB PRO A 94 4.370 -8.465 11.645 1.00 0.00 C ATOM 1443 CG PRO A 94 3.553 -9.693 11.857 1.00 0.00 C ATOM 1444 CD PRO A 94 2.268 -9.231 12.485 1.00 0.00 C ATOM 0 HA PRO A 94 3.645 -6.380 11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.067 -8.592 10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.963 -8.227 12.528 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.364 -10.204 10.913 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.072 -10.400 12.504 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.425 -9.850 12.177 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.315 -9.274 13.573 1.00 0.00 H new ATOM 1452 N ALA A 95 3.769 -6.141 9.296 1.00 0.00 N ATOM 1453 CA ALA A 95 3.678 -5.867 7.868 1.00 0.00 C ATOM 1454 C ALA A 95 4.222 -7.034 7.050 1.00 0.00 C ATOM 1455 O ALA A 95 5.416 -7.327 7.089 1.00 0.00 O ATOM 1456 CB ALA A 95 4.427 -4.587 7.527 1.00 0.00 C ATOM 0 H ALA A 95 4.322 -5.463 9.821 1.00 0.00 H new ATOM 0 HA ALA A 95 2.626 -5.738 7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.351 -4.395 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.992 -3.753 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.476 -4.695 7.802 1.00 0.00 H new ATOM 1462 N GLN A 96 3.337 -7.695 6.311 1.00 0.00 N ATOM 1463 CA GLN A 96 3.729 -8.831 5.485 1.00 0.00 C ATOM 1464 C GLN A 96 4.345 -8.362 4.171 1.00 0.00 C ATOM 1465 O GLN A 96 4.765 -9.173 3.346 1.00 0.00 O ATOM 1466 CB GLN A 96 2.521 -9.726 5.204 1.00 0.00 C ATOM 1467 CG GLN A 96 1.819 -10.212 6.462 1.00 0.00 C ATOM 1468 CD GLN A 96 2.690 -11.128 7.300 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.366 -12.013 6.774 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.679 -10.920 8.611 1.00 0.00 N ATOM 0 H GLN A 96 2.345 -7.464 6.267 1.00 0.00 H new ATOM 0 HA GLN A 96 4.477 -9.404 6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.808 -9.177 4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.846 -10.589 4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.520 -9.352 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.906 -10.739 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.104 -10.175 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.246 -11.505 9.225 1.00 0.00 H new ATOM 1479 N ALA A 97 4.395 -7.047 3.983 1.00 0.00 N ATOM 1480 CA ALA A 97 4.961 -6.470 2.770 1.00 0.00 C ATOM 1481 C ALA A 97 6.409 -6.908 2.577 1.00 0.00 C ATOM 1482 O ALA A 97 7.171 -7.010 3.539 1.00 0.00 O ATOM 1483 CB ALA A 97 4.868 -4.952 2.815 1.00 0.00 C ATOM 0 H ALA A 97 4.050 -6.362 4.655 1.00 0.00 H new ATOM 0 HA ALA A 97 4.383 -6.834 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.294 -4.534 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.823 -4.654 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.420 -4.579 3.678 1.00 0.00 H new ATOM 1489 N THR A 98 6.783 -7.167 1.328 1.00 0.00 N ATOM 1490 CA THR A 98 8.139 -7.596 1.010 1.00 0.00 C ATOM 1491 C THR A 98 9.100 -6.413 0.992 1.00 0.00 C ATOM 1492 O THR A 98 10.108 -6.411 1.697 1.00 0.00 O ATOM 1493 CB THR A 98 8.196 -8.310 -0.354 1.00 0.00 C ATOM 1494 OG1 THR A 98 7.631 -9.621 -0.245 1.00 0.00 O ATOM 1495 CG2 THR A 98 9.630 -8.411 -0.852 1.00 0.00 C ATOM 0 H THR A 98 6.166 -7.087 0.520 1.00 0.00 H new ATOM 0 HA THR A 98 8.441 -8.294 1.791 1.00 0.00 H new ATOM 0 HB THR A 98 7.619 -7.724 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.670 -10.067 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.645 -8.919 -1.816 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.048 -7.410 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.225 -8.976 -0.135 1.00 0.00 H new ATOM 1503 N GLU A 99 8.780 -5.408 0.182 1.00 0.00 N ATOM 1504 CA GLU A 99 9.617 -4.219 0.074 1.00 0.00 C ATOM 1505 C GLU A 99 9.280 -3.215 1.172 1.00 0.00 C ATOM 1506 O GLU A 99 9.405 -2.005 0.982 1.00 0.00 O ATOM 1507 CB GLU A 99 9.441 -3.568 -1.299 1.00 0.00 C ATOM 1508 CG GLU A 99 10.024 -4.385 -2.440 1.00 0.00 C ATOM 1509 CD GLU A 99 10.397 -3.533 -3.637 1.00 0.00 C ATOM 1510 OE1 GLU A 99 11.018 -2.468 -3.437 1.00 0.00 O ATOM 1511 OE2 GLU A 99 10.067 -3.930 -4.774 1.00 0.00 O ATOM 0 H GLU A 99 7.948 -5.394 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 99 10.656 -4.525 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.378 -3.409 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.913 -2.585 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.908 -4.916 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.301 -5.140 -2.748 1.00 0.00 H new ATOM 1518 N TYR A 100 8.852 -3.725 2.321 1.00 0.00 N ATOM 1519 CA TYR A 100 8.494 -2.874 3.450 1.00 0.00 C ATOM 1520 C TYR A 100 9.738 -2.267 4.091 1.00 0.00 C ATOM 1521 O TYR A 100 9.692 -1.167 4.641 1.00 0.00 O ATOM 1522 CB TYR A 100 7.709 -3.675 4.490 1.00 0.00 C ATOM 1523 CG TYR A 100 7.648 -3.009 5.847 1.00 0.00 C ATOM 1524 CD1 TYR A 100 6.792 -1.940 6.081 1.00 0.00 C ATOM 1525 CD2 TYR A 100 8.447 -3.450 6.895 1.00 0.00 C ATOM 1526 CE1 TYR A 100 6.735 -1.329 7.318 1.00 0.00 C ATOM 1527 CE2 TYR A 100 8.395 -2.846 8.136 1.00 0.00 C ATOM 1528 CZ TYR A 100 7.538 -1.785 8.343 1.00 0.00 C ATOM 1529 OH TYR A 100 7.482 -1.180 9.577 1.00 0.00 O ATOM 0 H TYR A 100 8.744 -4.724 2.496 1.00 0.00 H new ATOM 0 HA TYR A 100 7.868 -2.063 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.694 -3.832 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.164 -4.659 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.160 -1.581 5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 100 9.120 -4.279 6.736 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.065 -0.498 7.482 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.022 -3.202 8.940 1.00 0.00 H new ATOM 0 HH TYR A 100 8.109 -1.622 10.187 1.00 0.00 H new ATOM 1539 N ALA A 101 10.848 -2.993 4.015 1.00 0.00 N ATOM 1540 CA ALA A 101 12.106 -2.526 4.585 1.00 0.00 C ATOM 1541 C ALA A 101 12.688 -1.379 3.766 1.00 0.00 C ATOM 1542 O ALA A 101 13.142 -0.377 4.318 1.00 0.00 O ATOM 1543 CB ALA A 101 13.103 -3.673 4.673 1.00 0.00 C ATOM 0 H ALA A 101 10.902 -3.907 3.565 1.00 0.00 H new ATOM 0 HA ALA A 101 11.905 -2.155 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 101 14.038 -3.310 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.696 -4.461 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.290 -4.070 3.675 1.00 0.00 H new ATOM 1549 N PHE A 102 12.671 -1.533 2.446 1.00 0.00 N ATOM 1550 CA PHE A 102 13.199 -0.510 1.550 1.00 0.00 C ATOM 1551 C PHE A 102 12.254 0.686 1.474 1.00 0.00 C ATOM 1552 O PHE A 102 12.677 1.808 1.197 1.00 0.00 O ATOM 1553 CB PHE A 102 13.419 -1.090 0.152 1.00 0.00 C ATOM 1554 CG PHE A 102 14.580 -2.040 0.073 1.00 0.00 C ATOM 1555 CD1 PHE A 102 15.858 -1.573 -0.188 1.00 0.00 C ATOM 1556 CD2 PHE A 102 14.393 -3.400 0.260 1.00 0.00 C ATOM 1557 CE1 PHE A 102 16.928 -2.445 -0.261 1.00 0.00 C ATOM 1558 CE2 PHE A 102 15.459 -4.276 0.189 1.00 0.00 C ATOM 1559 CZ PHE A 102 16.728 -3.798 -0.073 1.00 0.00 C ATOM 0 H PHE A 102 12.298 -2.356 1.973 1.00 0.00 H new ATOM 0 HA PHE A 102 14.155 -0.171 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.514 -1.608 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.580 -0.272 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.020 -0.516 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 102 13.403 -3.780 0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 102 17.919 -2.068 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.300 -5.334 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.562 -4.481 -0.131 1.00 0.00 H new ATOM 1569 N ALA A 103 10.972 0.436 1.721 1.00 0.00 N ATOM 1570 CA ALA A 103 9.967 1.491 1.682 1.00 0.00 C ATOM 1571 C ALA A 103 10.329 2.630 2.629 1.00 0.00 C ATOM 1572 O ALA A 103 10.120 3.802 2.315 1.00 0.00 O ATOM 1573 CB ALA A 103 8.597 0.928 2.030 1.00 0.00 C ATOM 0 H ALA A 103 10.605 -0.488 1.950 1.00 0.00 H new ATOM 0 HA ALA A 103 9.936 1.892 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.856 1.727 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.328 0.154 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.624 0.499 3.032 1.00 0.00 H new ATOM 1579 N PHE A 104 10.873 2.278 3.789 1.00 0.00 N ATOM 1580 CA PHE A 104 11.263 3.271 4.783 1.00 0.00 C ATOM 1581 C PHE A 104 12.588 2.893 5.439 1.00 0.00 C ATOM 1582 O PHE A 104 12.676 1.893 6.150 1.00 0.00 O ATOM 1583 CB PHE A 104 10.175 3.411 5.849 1.00 0.00 C ATOM 1584 CG PHE A 104 8.988 4.212 5.394 1.00 0.00 C ATOM 1585 CD1 PHE A 104 7.997 3.628 4.622 1.00 0.00 C ATOM 1586 CD2 PHE A 104 8.864 5.548 5.738 1.00 0.00 C ATOM 1587 CE1 PHE A 104 6.905 4.362 4.200 1.00 0.00 C ATOM 1588 CE2 PHE A 104 7.774 6.288 5.320 1.00 0.00 C ATOM 1589 CZ PHE A 104 6.792 5.693 4.551 1.00 0.00 C ATOM 0 H PHE A 104 11.054 1.313 4.064 1.00 0.00 H new ATOM 0 HA PHE A 104 11.389 4.227 4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.840 2.418 6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.603 3.882 6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.079 2.587 4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 104 9.628 6.017 6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.141 3.895 3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.690 7.329 5.594 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.938 6.268 4.225 1.00 0.00 H new TER 1599 PHE A 104